3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C23H24FN3O2 — CID 4847

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKeyHXCNRYXBZNHDNE-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.28
Rot. Bonds5

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 4847) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID4847
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKeyHXCNRYXBZNHDNE-UHFFFAOYSA-N
XLogP3.28
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 15105373
Seganserin
CID 71767
(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
CID 42647058
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-phenylmethanone;perchloric acid
CID 42646320
3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 72005
3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid
CID 42646322
(4-fluorophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
CID 42647057
DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
CID 29941101
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120
3-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10430923
3-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 10833846
(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-phenylmethanone;perchloric acid
CID 49797619

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 4847) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HXCNRYXBZNHDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3.
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 393.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).